SCHEMBL8041828

SCHEMBL8041828

O=C(Nc1cnc(Sc2nnnn2-c2cccs2)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 3/20 0.35
ALOX15 P16050 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8050828 0.87 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8051230 0.85 TP53 (0.46) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8049831 0.85 HDAC6 (0.38) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8050177 0.85 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8043437 0.84 TP53 (0.47) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8050049 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8049035 0.84 L3MBTL1 (0.39) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8045824 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8051515 0.83 HPGD (0.49) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL8042315 0.82 KMT2A (0.46) ALDH1A1MAPTKMT2AHSD17B10MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed